Detailed information for compound 1970057

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.918 | Formula: C23H24ClN5O8
  • H donors: 2 H acceptors: 5 LogP: 1.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC[C@@H]1OC(=O)N(C1)c1noc2c1cc1CC3(C(=O)NC(=O)NC3=O)[C@@H]3N(c1c2Cl)C[C@H](O[C@H]3C)C
  • InChi: 1S/C23H24ClN5O8/c1-9-6-28-15-11(5-23(17(28)10(2)35-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)37-27-18(13)29-7-12(8-34-3)36-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12-,17-/m1/s1
  • InChiKey: RHAQMPMGRNLWFU-SKCRNORWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli DNA gyrase (type II topoisomerase), subunit A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein Get druggable targets OG5_129568 All targets in OG5_129568
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium berghei DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium yoelii DNA gyrase subunit a-related Get druggable targets OG5_129568 All targets in OG5_129568
Mycobacterium ulcerans DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
Theileria parva DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium falciparum DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
Neospora caninum DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium vivax DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium knowlesi DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) Get druggable targets OG5_129568 All targets in OG5_129568
Treponema pallidum DNA gyrase, subunit A (gyrA) Get druggable targets OG5_129568 All targets in OG5_129568
Babesia bovis DNA gyrase A subunit, putative Get druggable targets OG5_129568 All targets in OG5_129568
Chlamydia trachomatis DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi SRC-1 0.0098 0.0076 0.0076
Echinococcus granulosus peroxidasin 0.0102 0.0094 0.0108
Echinococcus granulosus RNA directed DNA polymerase 0.0298 0.105 0.1204
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0207 0.0608 0.0608
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0123 0.0197 0.0197
Echinococcus granulosus tyrosine protein kinase Lyn 0.0106 0.0113 0.0129
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0094 0.0094
Schistosoma mansoni tyrosine kinase 0.0098 0.0076 0.0131
Brugia malayi Tyrosine-protein kinase abl-1 0.0098 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0102 0.0094 0.0094
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0098 0.0076 0.0131
Loa Loa (eye worm) hypothetical protein 0.0098 0.0076 0.0076
Schistosoma mansoni ephrin receptor 0.0125 0.0204 0.0349
Echinococcus multilocularis Diacylglycerol kinase theta 0.0144 0.0301 0.0514
Echinococcus granulosus NDR protein kinase 0.0207 0.0608 0.0697
Schistosoma mansoni vesicular amine transporter 0.018 0.0476 0.0813
Loa Loa (eye worm) hypothetical protein 0.0194 0.0543 0.0543
Loa Loa (eye worm) TK protein kinase 0.0098 0.0076 0.0076
Schistosoma mansoni neuroglian 0.0116 0.0161 0.0274
Brugia malayi Immunoglobulin I-set domain containing protein 0.0194 0.0543 0.0543
Echinococcus multilocularis myotubularin protein 13 0.0144 0.0301 0.0514
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0318 0.1149 0.5
Schistosoma mansoni protein kinase 0.0126 0.0213 0.0364
Schistosoma mansoni roundabout 0.0102 0.0094 0.0161
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0168 0.0418 0.0714
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0152 0.0336 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0667 0.2855 0.4873
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0102 0.0094 0.0094
Giardia lamblia Aurora kinase 0.011 0.0135 1
Brugia malayi Protein kinase domain containing protein 0.0372 0.1413 0.1413
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0126 0.0213 0.0244
Entamoeba histolytica protein kinase, putative 0.0207 0.0608 0.311
Leishmania major cyclin 0.0085 0.0011 0.0803
Brugia malayi Protein kinase domain containing protein 0.0098 0.0076 0.0076
Brugia malayi p70 ribosomal S6 kinase beta 0.0207 0.0608 0.0608
Echinococcus granulosus tyrosine kinase 0.0098 0.0076 0.0088
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0207 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0102 0.0094 0.0094
Schistosoma mansoni protein kinase 0.0126 0.0213 0.0364
Onchocerca volvulus 0.0098 0.0076 0.0084
Onchocerca volvulus 0.0098 0.0076 0.0084
Echinococcus multilocularis serine:threonine protein kinase N2 0.0682 0.2929 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0845 0.3723 0.3723
Loa Loa (eye worm) RasGEF domain-containing protein 0.0144 0.0301 0.0301
Echinococcus granulosus cyclin B 0.0085 0.0011 0.0012
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0116 0.0161 0.0274
Schistosoma mansoni cell adhesion molecule 0.0102 0.0094 0.0161
Brugia malayi SH2 domain containing protein 0.0098 0.0076 0.0076
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0098 0.0076 0.0131
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0168 0.0418 0.048
Brugia malayi Peroxidasin 0.0102 0.0094 0.0094
Brugia malayi Protein kinase domain containing protein 0.0098 0.0076 0.0076
Trypanosoma brucei rac serine-threonine kinase, putative 0.0207 0.0608 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0098 0.0076 0.0088
Echinococcus multilocularis neuroglian 0.0116 0.0161 0.0274
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0144 0.0301 0.0301
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0318 0.1149 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0116 0.0161 0.0274
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0098 0.0076 0.0131
Onchocerca volvulus 0.0162 0.039 0.0427
Loa Loa (eye worm) AUR protein kinase 0.011 0.0135 0.0135
Entamoeba histolytica protein kinase, putative 0.011 0.0135 0.0692
Brugia malayi hypothetical protein 0.0098 0.0076 0.0076
Entamoeba histolytica diacylglycerol kinase, putative 0.0144 0.0301 0.1541
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0834 0.3668 0.4205
Schistosoma mansoni tyrosine kinase 0.092 0.4091 0.6983
Echinococcus multilocularis epidermal growth factor receptor 0.1282 0.5859 1
Schistosoma mansoni protein kinase C 0.0162 0.039 0.0665
Onchocerca volvulus 0.0144 0.0301 0.033
Echinococcus multilocularis serine threonine protein kinase 0.0523 0.215 0.367
Loa Loa (eye worm) hypothetical protein 0.1042 0.4685 0.4685
Brugia malayi diacylglycerol kinase 0.0144 0.0301 0.0301
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0102 0.0094 0.0161
Onchocerca volvulus 0.0098 0.0076 0.0084
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0098 0.0076 0.0131
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Chlamydia trachomatis DNA gyrase subunit A 0.0318 0.1149 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.011 0.0135 0.0692
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Echinococcus granulosus defective proboscis extension response 0.018 0.0476 0.0546
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0098 0.0076 0.0088
Schistosoma mansoni serine/threonine protein kinase 0.0667 0.2855 0.4873
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.011 0.0135 0.0692
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0934 0.4158 0.4766
Schistosoma mansoni serine/threonine protein kinase 0.011 0.0135 0.0231
Schistosoma mansoni kinase 0.0154 0.0347 0.0592
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Mycobacterium ulcerans DNA gyrase subunit A 0.0318 0.1149 0.5
Entamoeba histolytica cyclin, putative 0.0085 0.0011 0.0056
Brugia malayi protein-tyrosine kinase 0.0098 0.0076 0.0076
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0168 0.0418 0.0714
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0116 0.0161 0.0161
Echinococcus granulosus lachesin 0.0102 0.0094 0.0108
Loa Loa (eye worm) hypothetical protein 0.0298 0.105 0.105
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.0608 0.1037
Schistosoma mansoni nephrin 0.0246 0.0797 0.136
Echinococcus multilocularis RNA directed DNA polymerase 0.0298 0.105 0.1793
Loa Loa (eye worm) TK/ROR protein kinase 0.0126 0.0213 0.0213
Entamoeba histolytica PH domain containing protein kinase, putative 0.0483 0.1954 1
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0098 0.0076 0.0088
Brugia malayi Immunoglobulin I-set domain containing protein 0.0116 0.0161 0.0161
Schistosoma mansoni protein kinase 0.0126 0.0213 0.0364
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0098 0.0076 0.0088
Trypanosoma cruzi CYC2-like cyclin, putative 0.0085 0.0011 0.0803
Trypanosoma cruzi aurora B kinase, putative 0.011 0.0135 1
Brugia malayi serine/threonine protein kinase 6 0.011 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.1249 0.5697 0.5697
Echinococcus granulosus serine:threonine protein kinase N2 0.0483 0.1954 0.224
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0207 0.0608 0.0697
Onchocerca volvulus 0.0098 0.0076 0.0084
Brugia malayi Furin-like cysteine rich region family protein 0.1282 0.5859 0.5859
Brugia malayi Variant SH3 domain containing protein 0.0168 0.0418 0.0418
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0168 0.0418 0.0714
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0098 0.0076 0.0131
Echinococcus granulosus Rac GTPase activating protein 1 0.0144 0.0301 0.0345
Echinococcus multilocularis hemicentin 1 0.0102 0.0094 0.0161
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0094 0.0094
Brugia malayi Cyclin, N-terminal domain containing protein 0.0085 0.0011 0.0011
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0105 0.0108 0.0108
Echinococcus granulosus Immunoglobulin 0.018 0.0476 0.0546
Entamoeba histolytica protein kinase, putative 0.011 0.0135 0.0692
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0207 0.0608 0.1037
Echinococcus granulosus Diacylglycerol kinase theta 0.0144 0.0301 0.0345
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.018 0.0476 0.0813
Echinococcus multilocularis hemicentin 1 0.0102 0.0094 0.0161
Schistosoma mansoni diacylglycerol kinase theta 0.0144 0.0301 0.0514
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Toxoplasma gondii AGC kinase 0.0207 0.0608 0.5291
Brugia malayi Immunoglobulin I-set domain containing protein 0.0116 0.0161 0.0161
Trichomonas vaginalis cyclin A, putative 0.0085 0.0011 0.0179
Trypanosoma cruzi cyclin 6, putative 0.0085 0.0011 0.0803
Entamoeba histolytica protein kinase , putative 0.011 0.0135 0.0692
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0098 0.0076 0.0131
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.0608 0.1037
Giardia lamblia G2/mitotic-specific cyclin B 0.0085 0.0011 0.0803
Plasmodium vivax serine/threonine protein kinase 6, putative 0.011 0.0135 0.1178
Echinococcus granulosus twitchin 0.024 0.0767 0.0879
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0323 0.1175 0.1175
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0318 0.1149 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0152 0.0337 0.0576
Trichomonas vaginalis cyclins, putative 0.0085 0.0011 0.0179
Echinococcus granulosus c src tyrosine kinase 0.0098 0.0076 0.0088
Echinococcus granulosus tyrosine kinase 0.0098 0.0076 0.0088
Echinococcus granulosus tyrosine protein kinase Srms 0.0098 0.0076 0.0088
Trichomonas vaginalis cyclin B, putative 0.0085 0.0011 0.0179
Loa Loa (eye worm) hypothetical protein 0.0085 0.0011 0.0011
Plasmodium vivax DNA gyrase subunit A, putative 0.0318 0.1149 1
Onchocerca volvulus Tyrosine kinase homolog 0.1952 0.913 1
Echinococcus multilocularis ephrin type A receptor 4 A 0.0136 0.0263 0.0449
Echinococcus granulosus protein kinase c eta type 0.0144 0.0301 0.0345
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Trichomonas vaginalis cyclin B, putative 0.0085 0.0011 0.0179
Loa Loa (eye worm) hypothetical protein 0.0442 0.1755 0.1755
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Schistosoma mansoni tyrosine kinase 0.0306 0.109 0.1861
Loa Loa (eye worm) raf kinase 0.0144 0.0301 0.0301
Loa Loa (eye worm) hypothetical protein 0.018 0.0476 0.0476
Brugia malayi Ras association domain family 1 isoform A 0.0144 0.0301 0.0301
Echinococcus multilocularis roundabout 2 0.0116 0.0161 0.0274
Echinococcus granulosus tyrosine protein kinase Fyn 0.0098 0.0076 0.0088
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0934 0.4158 0.7096
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0094 0.0094
Brugia malayi Protein kinase domain containing protein 0.0098 0.0076 0.0076
Echinococcus granulosus neuroglian 0.0232 0.073 0.0837
Echinococcus multilocularis tyrosine kinase 0.0098 0.0076 0.0131
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Brugia malayi Protein kinase domain containing protein 0.0098 0.0076 0.0076
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0126 0.0213 0.0244
Brugia malayi protein kinase C II. 0.0845 0.3723 0.3723
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0098 0.0076 0.0131
Schistosoma mansoni vav2 0.0168 0.0418 0.0714
Echinococcus multilocularis roundabout 2 0.0116 0.0161 0.0274
Trichomonas vaginalis AGC family protein kinase 0.011 0.0135 0.2226
Trypanosoma brucei mitotic cyclin 6 0.0085 0.0011 0.0179
Brugia malayi Immunoglobulin I-set domain containing protein 0.0126 0.0213 0.0213
Echinococcus multilocularis tyrosine protein kinase Srms 0.0098 0.0076 0.0131
Echinococcus granulosus tyrosine protein kinase Fyn 0.0098 0.0076 0.0088
Schistosoma mansoni protein kinase C mu 0.0144 0.0301 0.0514
Echinococcus multilocularis lachesin 0.0102 0.0094 0.0161
Echinococcus granulosus insulin receptor 0.092 0.4091 0.469
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0105 0.0108 0.0108
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0207 0.0608 0.1037
Entamoeba histolytica protein kinase, putative 0.0207 0.0608 0.311
Onchocerca volvulus 0.1042 0.4685 0.5132
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Schistosoma mansoni cyclin B 0.0085 0.0011 0.0019
Loa Loa (eye worm) hypothetical protein 0.0194 0.0543 0.0543
Echinococcus granulosus Protein kinase C brain isozyme 0.0667 0.2855 0.3273
Loa Loa (eye worm) hypothetical protein 0.0298 0.105 0.105
Schistosoma mansoni titin 0.0102 0.0094 0.0161
Loa Loa (eye worm) hypothetical protein 0.0102 0.0094 0.0094
Trichomonas vaginalis cyclins, putative 0.0085 0.0011 0.0179
Echinococcus granulosus tyrosine protein kinase otk 0.0102 0.0094 0.0108
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0094 0.0094
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0126 0.0213 0.0364
Brugia malayi serine/threonine-protein kinase 6 0.011 0.0135 0.0135
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0152 0.0337 0.0337
Echinococcus granulosus protein kinase c epsilon type 0.0845 0.3723 0.4268
Loa Loa (eye worm) AUR protein kinase 0.011 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0098 0.0076 0.0131
Brugia malayi Protein kinase domain containing protein 0.0207 0.0608 0.0608
Schistosoma mansoni tyrosine kinase 0.0759 0.3305 0.5641
Brugia malayi C1-like domain containing protein 0.0152 0.0337 0.0337
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.0608 0.1037
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0116 0.0161 0.0274
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0152 0.0337 0.0337
Brugia malayi Prion-like- 0.0102 0.0094 0.0094
Brugia malayi hypothetical protein 0.0194 0.0543 0.0543
Schistosoma mansoni septate junction protein 0.0102 0.0094 0.0161
Echinococcus granulosus tyrosine protein kinase Blk 0.0098 0.0076 0.0088
Echinococcus multilocularis protein tyrosine kinase 0.0306 0.109 0.1861
Schistosoma mansoni tyrosine kinase 0.0098 0.0076 0.0131
Echinococcus granulosus roundabout 2 0.0296 0.1041 0.1193
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0207 0.0608 0.0608
Entamoeba histolytica protein kinase, putative 0.0207 0.0608 0.311
Brugia malayi Fibronectin type III domain containing protein 0.0194 0.0543 0.0543
Echinococcus multilocularis epidermal growth factor receptor 0.0834 0.3668 0.6261
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0098 0.0076 0.0131
Trichomonas vaginalis cyclin B, putative 0.0085 0.0011 0.0179
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0094 0.0094
Schistosoma mansoni tyrosine kinase 0.092 0.4091 0.6983
Entamoeba histolytica diacylglycerol kinase, putative 0.0144 0.0301 0.1541
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0116 0.0161 0.0274
Echinococcus granulosus myotubularin protein 13 0.0144 0.0301 0.0345
Trichomonas vaginalis AGC family protein kinase 0.011 0.0135 0.2226
Echinococcus multilocularis tyrosine protein kinase Blk 0.0098 0.0076 0.0131
Schistosoma mansoni serine/threonine kinase 0.0207 0.0608 0.1037
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0094 0.0094
Toxoplasma gondii diacylglycerol kinase, putative 0.0144 0.0301 0.2621
Trichomonas vaginalis AGC family protein kinase 0.011 0.0135 0.2226
Loa Loa (eye worm) hypothetical protein 0.0194 0.0543 0.0543
Echinococcus multilocularis basement membrane specific heparan sulfate 0.018 0.0476 0.0813
Echinococcus granulosus hemicentin 1 0.0102 0.0094 0.0108
Echinococcus granulosus contactin 0.0116 0.0161 0.0184
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0116 0.0161 0.0184
Schistosoma mansoni tyrosine kinase 0.0098 0.0076 0.0131
Loa Loa (eye worm) TK/KIN16 protein kinase 0.213 1 1
Schistosoma mansoni rac gtpase activating protein 0.0144 0.0301 0.0514
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0116 0.0161 0.0274
Loa Loa (eye worm) AGC/NDR protein kinase 0.0207 0.0608 0.0608
Echinococcus granulosus tyrosine protein kinase Src42A 0.0098 0.0076 0.0088
Loa Loa (eye worm) SRC-1 0.0098 0.0076 0.0076
Loa Loa (eye worm) TK/INSR protein kinase 0.092 0.4091 0.4091
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0102 0.0094 0.0103
Schistosoma mansoni cell adhesion molecule 0.0116 0.0161 0.0274
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0126 0.0213 0.0364
Echinococcus multilocularis insulin receptor 0.092 0.4091 0.6983
Brugia malayi RhoGAP domain containing protein 0.0168 0.0418 0.0418
Brugia malayi Cyclin, N-terminal domain containing protein 0.0085 0.0011 0.0011
Loa Loa (eye worm) TK/ABL protein kinase 0.0098 0.0076 0.0076
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0162 0.039 0.0665
Brugia malayi Pleckstrin Homology Domain 0.0144 0.0301 0.0301
Loa Loa (eye worm) hypothetical protein 0.0282 0.0975 0.0975
Echinococcus multilocularis protein kinase c epsilon type 0.0845 0.3723 0.6354
Loa Loa (eye worm) hypothetical protein 0.1186 0.539 0.539
Loa Loa (eye worm) hypothetical protein 0.0102 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.1042 0.4685 0.4685
Brugia malayi diacylglycerol kinase 0.0144 0.0301 0.0301
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0102 0.0094 0.0161
Schistosoma mansoni tyrosine kinase 0.0098 0.0076 0.0131
Echinococcus multilocularis roundabout 2 0.0296 0.1041 0.1776
Loa Loa (eye worm) TK protein kinase 0.0126 0.0213 0.0213
Loa Loa (eye worm) TK/EGFR protein kinase 0.1282 0.5859 0.5859
Loa Loa (eye worm) hypothetical protein 0.018 0.0476 0.0476
Entamoeba histolytica hypothetical protein 0.0144 0.0301 0.1541
Echinococcus multilocularis protein kinase c iota type 0.0351 0.1313 0.224
Onchocerca volvulus 0.0144 0.0301 0.033
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0207 0.0608 0.0608
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0207 0.0608 0.0697
Loa Loa (eye worm) hypothetical protein 0.0102 0.0094 0.0094
Trichomonas vaginalis cyclin B, putative 0.0085 0.0011 0.0179
Toxoplasma gondii aurora kinase 0.011 0.0135 0.1178
Schistosoma mansoni unc-13 (munc13) 0.0162 0.039 0.0665
Echinococcus granulosus N chimaerin 0.0168 0.0418 0.048
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.011 0.0135 0.0231
Schistosoma mansoni tyrosine kinase 0.0759 0.3305 0.5641
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0207 0.0608 0.1037
Echinococcus granulosus epidermal growth factor receptor 0.0834 0.3668 0.4205
Loa Loa (eye worm) TK/EPH protein kinase 0.0138 0.0272 0.0272
Entamoeba histolytica protein kinase, putative 0.0207 0.0608 0.311
Onchocerca volvulus 0.0085 0.0011 0.0012
Brugia malayi Immunoglobulin I-set domain containing protein 0.0116 0.0161 0.0161
Echinococcus multilocularis neuroglian 0.0232 0.073 0.1247
Echinococcus multilocularis tyrosine protein kinase shark 0.0098 0.0076 0.0131
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.011 0.0132 0.0152
Onchocerca volvulus 0.0098 0.0076 0.0084
Loa Loa (eye worm) AGC/PKN protein kinase 0.0207 0.0608 0.0608
Echinococcus granulosus serine:threonine protein kinase 12 B 0.011 0.0135 0.0155
Trichomonas vaginalis AGC family protein kinase 0.011 0.0135 0.2226
Brugia malayi Protein kinase domain containing protein 0.0309 0.1104 0.1104
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.023 0.072 0.0826
Loa Loa (eye worm) hypothetical protein 0.023 0.072 0.072
Onchocerca volvulus 0.0098 0.0076 0.0084
Loa Loa (eye worm) hypothetical protein 0.0102 0.0094 0.0094
Schistosoma mansoni tyrosine kinase 0.0834 0.3668 0.6261
Brugia malayi Hr1 repeat family protein 0.0207 0.0608 0.0608
Echinococcus multilocularis serine:threonine protein kinase 38 0.0207 0.0608 0.1037
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Schistosoma mansoni protein kinase C mu 0.0152 0.0337 0.0576
Schistosoma mansoni protein kinase 0.011 0.0135 0.0231
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0162 0.039 0.0447
Schistosoma mansoni serine/threonine protein kinase 0.0152 0.0337 0.0576
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0098 0.0076 0.0131
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0207 0.0608 0.0697
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0298 0.105 0.1793
Brugia malayi protein kinase C3,putative 0.0152 0.0337 0.0337
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0152 0.0337 0.0337
Echinococcus granulosus tyrosine protein kinase ABL1 0.0098 0.0076 0.0088
Brugia malayi Protein kinase domain containing protein 0.0098 0.0076 0.0076
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.1869 0.8723 1
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.02 0.0572 0.9405
Brugia malayi Protein kinase domain containing protein 0.0152 0.0337 0.0337
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.011 0.0132 0.0226
Echinococcus granulosus raf serine:threonine protein kinase 0.0219 0.0664 0.0761
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Echinococcus granulosus aurora kinase A 0.011 0.0135 0.0155
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Echinococcus granulosus protein kinase C gamma type 0.0523 0.215 0.2465
Echinococcus granulosus protein tyrosine kinase 0.0306 0.109 0.125
Loa Loa (eye worm) hypothetical protein 0.0085 0.0011 0.0011
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0085 0.0011 0.0803
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Onchocerca volvulus 0.1826 0.8513 0.9324
Loa Loa (eye worm) hypothetical protein 0.0116 0.0161 0.0161
Brugia malayi Protein kinase domain containing protein 0.0207 0.0608 0.0608
Echinococcus multilocularis tyrosine protein kinase otk 0.0102 0.0094 0.0161
Echinococcus granulosus tyrosine protein kinase shark 0.0098 0.0076 0.0088
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0102 0.0094 0.0094
Echinococcus granulosus tyrosine protein kinase Fyn 0.0098 0.0076 0.0088
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0207 0.0608 0.0697
Schistosoma mansoni tyrosine kinase 0.0098 0.0076 0.0131
Schistosoma mansoni tyrosine kinase 0.0834 0.3668 0.6261
Trypanosoma brucei aurora B kinase 0.011 0.0135 0.2226
Schistosoma mansoni ephrin receptor 0.0088 0.0025 0.0043
Echinococcus granulosus protein kinase c iota type 0.0351 0.1313 0.1505
Echinococcus multilocularis peroxidasin 0.0102 0.0094 0.0161
Loa Loa (eye worm) AUR protein kinase 0.011 0.0135 0.0135
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0152 0.0337 0.0387
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.018 0.0476 0.0476
Schistosoma mansoni cell adhesion molecule 0.0244 0.0787 0.1343
Schistosoma mansoni unc-13 (munc13) 0.0162 0.039 0.0665
Entamoeba histolytica protein kinase domain containing protein 0.011 0.0135 0.0692
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Schistosoma mansoni cell adhesion molecule 0.0116 0.0161 0.0274
Loa Loa (eye worm) hypothetical protein 0.0102 0.0094 0.0094
Loa Loa (eye worm) TK/FAK protein kinase 0.0309 0.1104 0.1104
Schistosoma mansoni serine/threonine protein kinase 0.0152 0.0337 0.0576
Echinococcus granulosus roundabout 2 0.0116 0.0161 0.0184
Echinococcus multilocularis Immunoglobulin 0.018 0.0476 0.0813
Schistosoma mansoni serine/threonine protein kinase 0.0667 0.2855 0.4873
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0098 0.0076 0.0088
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.0608 0.1037
Schistosoma mansoni septate junction protein 0.0102 0.0094 0.0161
Schistosoma mansoni tyrosine kinase 0.0759 0.3305 0.5641
Trypanosoma cruzi cyclin, putative 0.0085 0.0011 0.0803
Echinococcus granulosus ephrin type A receptor 4 A 0.0136 0.0263 0.0301
Trypanosoma cruzi cyclin, putative 0.0085 0.0011 0.0803
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0168 0.0418 0.0418
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0098 0.0076 0.0131
Schistosoma mansoni serine/threonine protein kinase 0.0219 0.0664 0.1133
Brugia malayi Protein kinase domain containing protein 0.0207 0.0608 0.0608
Echinococcus multilocularis protein kinase c eta type 0.0144 0.0301 0.0514
Trichomonas vaginalis cyclins, putative 0.0085 0.0011 0.0179
Echinococcus granulosus roundabout 2 0.0116 0.0161 0.0184
Plasmodium falciparum serine/threonine protein kinase, putative 0.011 0.0135 0.1178
Plasmodium falciparum DNA gyrase subunit A 0.0318 0.1149 1
Brugia malayi Protein kinase domain containing protein 0.092 0.4091 0.4091
Echinococcus granulosus epidermal growth factor receptor 0.1282 0.5859 0.6717
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Brugia malayi SH2 domain containing protein 0.0098 0.0076 0.0076
Brugia malayi RhoGEF domain containing protein 0.0144 0.0301 0.0301
Echinococcus multilocularis 0.0371 0.141 0.2407
Schistosoma mansoni tyrosine kinase 0.0176 0.0457 0.0781
Echinococcus multilocularis unc 13 (munc13) 0.0162 0.039 0.0665
Leishmania major protein kinase, putative 0.011 0.0135 1
Loa Loa (eye worm) TK/FER protein kinase 0.0098 0.0076 0.0076
Echinococcus multilocularis Immunoglobulin 0.018 0.0476 0.0813
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0098 0.0076 0.0391
Schistosoma mansoni nephrin 0.0116 0.0161 0.0274
Schistosoma mansoni hypothetical protein 0.0144 0.0301 0.0514
Loa Loa (eye worm) hypothetical protein 0.1042 0.4685 0.4685
Echinococcus multilocularis serine:threonine protein kinase N2 0.0207 0.0608 0.1037
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.018 0.0476 0.0813
Schistosoma mansoni tyrosine kinase 0.0098 0.0076 0.0131
Loa Loa (eye worm) hypothetical protein 0.0162 0.039 0.039
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0144 0.0301 0.0301
Trichomonas vaginalis cyclins, putative 0.0085 0.0011 0.0179
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0608 1
Brugia malayi serine/threonine kinase 12 0.011 0.0135 0.0135
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0098 0.0076 0.0131
Echinococcus granulosus unc 13 munc13 0.0162 0.039 0.0447
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.011 0.0135 0.0692
Schistosoma mansoni serine/threonine protein kinase 0.0845 0.3723 0.6354
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0098 0.0076 0.0131
Brugia malayi RhoGAP domain containing protein 0.0144 0.0301 0.0301
Schistosoma mansoni atypical protein kinase C 0.0351 0.1313 0.224
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0098 0.0076 0.0131
Echinococcus multilocularis tyrosine protein kinase Abl 0.0098 0.0076 0.0131
Echinococcus multilocularis aurora kinase A 0.011 0.0135 0.0231
Loa Loa (eye worm) AGC/AKT protein kinase 0.0207 0.0608 0.0608
Brugia malayi Protein kinase c protein 2 0.0468 0.188 0.188
Loa Loa (eye worm) hypothetical protein 0.0144 0.0301 0.0301
Echinococcus multilocularis raf serine:threonine protein kinase 0.0219 0.0664 0.1133
Brugia malayi ephrin receptor 1 precursor 0.0098 0.0075 0.0075
Echinococcus granulosus neuroglian 0.0116 0.0161 0.0184
Echinococcus granulosus tyrosine protein kinase Src64B 0.0098 0.0076 0.0088
Echinococcus multilocularis N chimaerin 0.0168 0.0418 0.0714
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0318 0.1149 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0098 0.0076 0.0131
Schistosoma mansoni diacylglycerol kinase theta 0.0144 0.0301 0.0514
Echinococcus multilocularis cyclin B 0.0085 0.0011 0.0019
Echinococcus multilocularis Rac GTPase activating protein 1 0.0144 0.0301 0.0514
Loa Loa (eye worm) hypothetical protein 0.0282 0.0975 0.0975
Schistosoma mansoni tyrosine kinase 0.1282 0.5859 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 540 nM BindingDB_Patents: Fluorescence Polarisation Assay. In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topological^ relaxed plasmid containing the triplex-forming sequence TTCTTCTTCTTCTTCTTCTTCTTCTTC (SEQ ID NO: 1) in an assay buffer consisting of 35 mM Tris-HCI (pH 7.5), 24 mM KCI, 4 mM MgCI2, 2 mM dithiothreitol, 1.8 mM spermidine, 5% (v/v) glycerol, 200 nM bovine serum albumin, 0.8%dimethylsulfoxide, and 0.3 mM ATP were incubated at ambient temperature for (typically 30 minutes) in the absence or presence of 5 -10 different concentrations of test compound. The supercoiling reactions were quenched by the addition of 10 microliters/well of 40 nM oligodeoxynucleotide probe in 3X triplex-forming buffer consisting of 150 mM NaCI, and 150 mM sodium acetate at pH 3.5. The oligodeoxynucleotide probe was 5'-BODIPY-FL-labeled TTCTTCTTC (SEQ ID NO:2). After 60 minutes, the fluorescence anisotropy of the BODIPY- FL was measured in a Tecan Ultra plate. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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